4-[dimethyl-[4-(4-phenylphenyl)butyl]azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[dimethyl-[4-(4-phenylphenyl)butyl]azaniumyl]butane-1-sulfonate Openeye Name: 4-[dimethyl-[4-(4-phenylphenyl)butyl]ammonio]butane-1-sulfonate CAS Name: 4-[dimethyl-[4-(4-phenylphenyl)butyl]ammonio]-1-butanesulfonate IUPAC Name: 4-[dimethyl-[4-(4-phenylphenyl)butyl]azaniumyl]butane-1-sulfonate Traditional Name: 4-[dimethyl-[4-(4-phenylphenyl)butyl]ammonio]butane-1-sulfonate Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=CC=C(C=C1)C2=CC=CC=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCCC1=CC=C(C=C1)C2=CC=CC=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C22H31NO3S/c1-23(2,18-8-9-19-27(24,25)26)17-7-6-10-20-13-15-22(16-14-20)21-11-4-3-5-12-21/h3-5,11-16H,6-10,17-19H2,1-2H3